lithocholic acid

Lithocholic Acid A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.

[1. One of the acids isolated from human bile as well as from that of cows, rabbits, sheep, and goats.

Molecular Formula: C₂₄H₄₀O₃

InChI: InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/f/h26H

InChIKey: InChIKey=SMEROWZSTRWXGI-CBUUBHRLDU
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2

CAS number 434-13-9

Names:
    Lithocholate
    LITHOCHOLIC ACID
    Lithocholic acid
    lithocholic acid
    Prestwick_88
    (3α,5β)-3-hydroxycholan-24-oic acid
    (4R)-4-[(3R,5R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    3alpha-Hydroxy-5beta-cholanate
    3alpha-Hydroxy-5beta-cholanic acid
    3α-hydroxy-5β-cholanic acid
    3α-hydroxy-5β-cholanoic acid
    434-13-9
    5β-cholanic acid-3α-ol

Registries:
    PubChem CID 9903
    Beilstein =3217757
    CAS 434-13-9 (from NIST)
    ChEBI 16325
    Kegg C03990
    PubChem ID 10321189
    PubChem ID 6705